MMsINC Database Search


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MMsINC code: MMs00255101

Type: Neutral
Formula: C₂₃H₂₉NO

SMILES:

O=C(N1CCC(CC1)Cc1ccccc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H29NO/c1-23(2,3)21-11-9-20(10-12-21)22(25)24-15-13-19(14-16-24)17-18-7-5-4-6-8-18/h4-12,19H,13-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.337 kcal/mol

Physical Properties
Molecular Weight: 335.491 g/mol	logS: -6.21613	SlogP: 5.07897	Reactive groups: 0

Topological Properties
Globularity: 0.0488979	Sterimol/B1: 2.07352	Sterimol/B2: 3.30434	Sterimol/B3: 5.24278
Sterimol/B4: 5.42111	Sterimol/L: 19.5747

Surface and Volume Properties
Accessible surface: 626.626	Positive charged surface: 412.374	Negative charged surface: 214.252	Volume: 362.875
Hydrophobic surface: 544.232	Hydrophilic surface: 82.394

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

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.