MMsINC Database Search


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MMsINC code: MMs02724301

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)N1CCCCC1C

InChI:

InChI=1/C23H24N2O2/c1-16-7-5-6-14-25(16)23(26)20-15-22(17-10-12-18(27-2)13-11-17)24-21-9-4-3-8-19(20)21/h3-4,8-13,15-16H,5-7,14H2,1-2H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.389 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.54048	SlogP: 4.925	Reactive groups: 0

Topological Properties
Globularity: 0.0852893	Sterimol/B1: 2.36964	Sterimol/B2: 4.09147	Sterimol/B3: 6.01909
Sterimol/B4: 8.83109	Sterimol/L: 15.8084

Surface and Volume Properties
Accessible surface: 623.906	Positive charged surface: 412.642	Negative charged surface: 200.711	Volume: 361.375
Hydrophobic surface: 562.55	Hydrophilic surface: 61.356

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.