MMsINC Database Search


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MMsINC code: MMs03577202

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1c2CCCc2nc2c1cccc2)C(C(=O)c1ccc(cc1)CC)C

InChI:

InChI=1/C24H23NO3/c1-3-16-11-13-17(14-12-16)23(26)15(2)28-24(27)22-18-7-4-5-9-20(18)25-21-10-6-8-19(21)22/h4-5,7,9,11-15H,3,6,8,10H2,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.057 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -6.34434	SlogP: 4.71401	Reactive groups: 0

Topological Properties
Globularity: 0.039396	Sterimol/B1: 3.52467	Sterimol/B2: 4.03129	Sterimol/B3: 5.36862
Sterimol/B4: 6.60847	Sterimol/L: 19.2174

Surface and Volume Properties
Accessible surface: 659.833	Positive charged surface: 389.189	Negative charged surface: 265.237	Volume: 368.625
Hydrophobic surface: 544.054	Hydrophilic surface: 115.779

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.