MMsINC Database Search


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MMsINC code: MMs03705680

Type: Neutral
Formula: C₁₈H₂₃NO

SMILES:

O(C)c1ccc2c(cccc2)c1CN1CCC(CC1)C

InChI:

InChI=1/C18H23NO/c1-14-9-11-19(12-10-14)13-17-16-6-4-3-5-15(16)7-8-18(17)20-2/h3-8,14H,9-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4639 kcal/mol

Physical Properties
Molecular Weight: 269.388 g/mol	logS: -4.45396	SlogP: 4.3467	Reactive groups: 0

Topological Properties
Globularity: 0.145025	Sterimol/B1: 2.18222	Sterimol/B2: 5.06131	Sterimol/B3: 5.06296
Sterimol/B4: 6.53711	Sterimol/L: 13.6854

Surface and Volume Properties
Accessible surface: 506.449	Positive charged surface: 375.006	Negative charged surface: 123.93	Volume: 288.875
Hydrophobic surface: 479.139	Hydrophilic surface: 27.31

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03705681
PUBCHEM-ZINC06395801