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MMsINC code: MMs02852015

Type: Neutral
Formula: C₁₈H₂₃N

SMILES:

N(C(CC(c1ccccc1)c1ccccc1)C)(C)C

InChI:

InChI=1/C18H23N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8329 kcal/mol

Physical Properties
Molecular Weight: 253.389 g/mol	logS: -3.48924	SlogP: 4.1587	Reactive groups: 0

Topological Properties
Globularity: 0.203794	Sterimol/B1: 3.8261	Sterimol/B2: 3.91073	Sterimol/B3: 5.43094
Sterimol/B4: 5.73097	Sterimol/L: 13.3211

Surface and Volume Properties
Accessible surface: 503.544	Positive charged surface: 348.248	Negative charged surface: 155.296	Volume: 282
Hydrophobic surface: 487.14	Hydrophilic surface: 16.404

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02852016
PUBCHEM-ZINC02015731