MMsINC Database Search


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MMsINC code: MMs01158643

Type: Neutral
Formula: C₂₄H₂₇ClN₂O₂

SMILES:

Clc1ccccc1Cn1cccc1CN(C(=O)c1ccc(OC)cc1)CC(C)C

InChI:

InChI=1/C24H27ClN2O2/c1-18(2)15-27(24(28)19-10-12-22(29-3)13-11-19)17-21-8-6-14-26(21)16-20-7-4-5-9-23(20)25/h4-14,18H,15-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=286.657 kcal/mol

Physical Properties
Molecular Weight: 410.945 g/mol	logS: -4.96639	SlogP: 6.0296	Reactive groups: 0

Topological Properties
Globularity: 0.109298	Sterimol/B1: 2.38004	Sterimol/B2: 4.16627	Sterimol/B3: 5.96455
Sterimol/B4: 6.33075	Sterimol/L: 17.8659

Surface and Volume Properties
Accessible surface: 626.594	Positive charged surface: 372.402	Negative charged surface: 254.192	Volume: 397.125
Hydrophobic surface: 550.523	Hydrophilic surface: 76.071

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.