MMsINC Database Search


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MMsINC code: MMs03290136

Type: Neutral
Formula: C₁₆H₂₄ClNO

SMILES:

Clc1ccc(cc1)CC(=O)N(CCCC)CCCC

InChI:

InChI=1/C16H24ClNO/c1-3-5-11-18(12-6-4-2)16(19)13-14-7-9-15(17)10-8-14/h7-10H,3-6,11-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.9658 kcal/mol

Physical Properties
Molecular Weight: 281.827 g/mol	logS: -4.30918	SlogP: 4.31127	Reactive groups: 0

Topological Properties
Globularity: 0.103831	Sterimol/B1: 2.15492	Sterimol/B2: 3.18885	Sterimol/B3: 3.61567
Sterimol/B4: 11.0177	Sterimol/L: 15.2027

Surface and Volume Properties
Accessible surface: 578.339	Positive charged surface: 361.3	Negative charged surface: 217.04	Volume: 298.125
Hydrophobic surface: 512.731	Hydrophilic surface: 65.608

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.