MMsINC Database Search


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MMsINC code: MMs02413492

Type: Neutral
Formula: C₂₃H₂₁N

SMILES:

[nH]1c2c(cccc2)c(C)c1C(C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H21N/c1-17-20-15-9-10-16-21(20)24-22(17)23(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,24H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.887 kcal/mol

Physical Properties
Molecular Weight: 311.428 g/mol	logS: -5.63533	SlogP: 5.83062	Reactive groups: 0

Topological Properties
Globularity: 0.246964	Sterimol/B1: 2.77005	Sterimol/B2: 3.7031	Sterimol/B3: 5.43976
Sterimol/B4: 7.85258	Sterimol/L: 13.2578

Surface and Volume Properties
Accessible surface: 548.966	Positive charged surface: 308.534	Negative charged surface: 236.565	Volume: 327
Hydrophobic surface: 529.398	Hydrophilic surface: 19.568

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.