MMsINC Database Search


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MMsINC code: MMs00913888

Type: Neutral
Formula: C₂₄H₃₀N₂O

SMILES:

OC(CNc1cc(C)c(cc1)C)Cn1c2CCCCc2c2cc(ccc12)C

InChI:

InChI=1/C24H30N2O/c1-16-8-11-24-22(12-16)21-6-4-5-7-23(21)26(24)15-20(27)14-25-19-10-9-17(2)18(3)13-19/h8-13,20,25,27H,4-7,14-15H2,1-3H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0337 kcal/mol

Physical Properties
Molecular Weight: 362.517 g/mol	logS: -5.46762	SlogP: 5.1847	Reactive groups: 0

Topological Properties
Globularity: 0.0582697	Sterimol/B1: 2.4024	Sterimol/B2: 3.84524	Sterimol/B3: 4.48761
Sterimol/B4: 10.0192	Sterimol/L: 18.1282

Surface and Volume Properties
Accessible surface: 678.642	Positive charged surface: 459.811	Negative charged surface: 213.203	Volume: 385.125
Hydrophobic surface: 632.236	Hydrophilic surface: 46.406

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.